(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

C19H19ClF3N3O3 — CID 156823008

IUPAC(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESCC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C19H19ClF3N3O3/c1-9-12-7-13(19(21,22)23)14(20)6-10(12)8-26(9)15(27)4-5-18(11-2-3-11)16(28)24-17(29)25-18/h6-7,9,11H,2-5,8H2,1H3,(H2,24,25,28,29)/t9?,18-/m0/s1
InChIKeyQMEYEEICXNLCJY-AHMWTOSDSA-N
MW429.83 g/mol
LogP3.53
Rot. Bonds4

About (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (PubChem CID 156823008) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
PubChem CID156823008
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC Name(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESCC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C19H19ClF3N3O3/c1-9-12-7-13(19(21,22)23)14(20)6-10(12)8-26(9)15(27)4-5-18(11-2-3-11)16(28)24-17(29)25-18/h6-7,9,11H,2-5,8H2,1H3,(H2,24,25,28,29)/t9?,18-/m0/s1
InChIKeyQMEYEEICXNLCJY-AHMWTOSDSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (CID 156823008) is (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is CC1c2cc(C(F)(F)F)c(Cl)cc2CN1C(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The InChIKey is QMEYEEICXNLCJY-AHMWTOSDSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-9-12-7-13(19(21,22)23)14(20)6-10(12)8-26(9)15(27)4-5-18(11-2-3-11)16(28)24-17(29)25-18/h6-7,9,11H,2-5,8H2,1H3,(H2,24,25,28,29)/t9?,18-/m0/s1.
What are the key properties of (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
(5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione has a molecular weight of 429.83 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 156823008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).